研究者情報 - 松原　世明

（最終更新日：2018-01-12 20:30:15）

  マツバラ　トシアキ   Matsubara Toshiaki
  松原　世明
   所属   神奈川大学理学部化学科

職種教授

■ 著書・論文歴

1.	著書	Handbook of Computational Chemistry Research （共著） 2009
2.	著書	第５版実験化学講座　12巻　計算化学（共著） 2004/03
3.	論文	Computational Study of the Effects of the Steric Hindrance on the Amide Bond Cleavage （共著） 2014
4.	論文	Computational Study on the Mechanism of the Electron-Transfer Induced Repair of the (6-4) T-T Photoproduct of DNA by Photolyase: Possibility of a Radical Cation Pathway （共著） 2014
5.	論文	Computational Study of the Binding Mechanism of Complement C3b with Antigen （共著） 2013
6.	論文	ONIOM Study of the Mechanism of Olefin Hydrogenation by the Wilkinson’s Catalyst: Reaction Paths and Energy Surfaces of Trans and Cis Form （共著） 2013
7.	論文	Dynamical Behavior of the H₂ Molecule of the PtH(H₂)[P(t-Bu)₃]₂+ Complex. A Theory of Chemical Reactivity （単著） 2009
8.	論文	ONIOM Study on the Mechanism of the Enzymatic Hydrolysis of Biodegradable Plastics （共著） 2009
9.	論文	An Insight into the Environmental Effects of the Pocket of the Active Site of the Enzyme. Ab initio ONIOM-Molecular Dynamics (MD) Study on Cytosine Deaminase （共著） 2008
10.	論文	Application of the ONIOM-Molecular Dynamics Method to the Organometallic Reaction Cis-(H)₂Pt(PR₃)₂  H₂ + Pt(PR₃)₂ (R = H, Me, Ph, and t-Bu). An Insight into the Dynamical Environmental Effects., （単著） 2008
11.	論文	Theoretical Insight into the Interaction of Fatty Acids Involved in Royal Jelly with the Human Estrogen Receptor  （共著） 2008
12.	論文	Ab Initio ONIOM-Molecular Dynamics (MD) Study on the Deamination Reaction by Cytidine Deaminase, （共著） 2007
13.	論文	The ONIOM molecular dynamics method for biochemical applications: cytidine deaminase. （共著） 2007
14.	論文	A Quantum Chemical Study of the Catalysis for Cytidine Deaminase: Contribution of the extra water molecule （共著） 2006
15.	論文	Quantum Chemical Study of the Interaction of the Short-Chain Poly(oxyethylene)s CH₃(OCH₂CH₂)mOCH₃ (C₁EmC₁; m=1 and 2) with a Water Molecule in the Gas Phase and the Solutions （共著） 2006
16.	論文	Ruthenium-Catalyzed Addition of Alkynes to Alkynylstannanes with Migration of the Stannyl Group （共著） 2006
17.	論文	Density Functional Study of the Electronic Structure of the New Type of Ion Clusters X(O₂)₂ and X(NO)₂ (X=H^-, H⁺, Li⁺, Na⁺, K⁺, Be²⁺, Mg²⁺, Ca²⁺) with the Cyclic Form （単著） 2004
18.	論文	A Proposal of the Source and the Evolution of the Bubble in the Glass Melts. Molecular Orbital and Molecular Dynamics Studies （共著） 2003
19.	論文	Density Functional Study of the Interaction of H₂, N₂, O₂, CO, and NO Diatomic Molecules with H-, Li-, and F- Anions. Prediction of a New Type of Anion Cluster. （共著） 2003
20.	論文	Density Functional Study on the Carbostannylation of Aryne by the Palladium(0)-Iminophosphine Catalyst. Does the Apical Site Really Contribute to the Catalytic Reaction? （単著） 2003
21.	論文	Density Functional Study on the Mechanism of the Oxidative Addition of the Highly Polarized Sn-C -Bond to the (LH₃)(L’H₃)Pd and (LH₂C₂H₄LH₂)Pd (L, L’=N, P, As, Sb) Complexes （単著） 2003
22.	論文	Density functional study of the binding of the cyclen-coordinated M(II) (M = Zn, Cu, Ni) complexes to the DNA base.Why is Zn better to bind? （共著） 2002
23.	論文	Density Functional Study of the π Bond Activation at the Pd=Sn Bond of the (H₂PC₂H₄PH₂)Pd=SnH₂ Complex. Why Do the (H₂PC₂H₄PH₂)Pd and SnH₂ Counterparts Mutually Rotate? （共著） 2002
24.	論文	Density Functional Study of the σ and π Bond Activation at the Pd=X (X=Sn, Si, C) Bonds of the (H₂PC₂H₄PH₂)Pd=XH₂ Complexes. Is the Bond Cleavage Homolytic or Heterolytic? （共著） 2002
25.	論文	Density Functional Study on the Mechanism of the C-X (X=Sn, Ge, Si, C, H) σ bonds Oxidative Addition of HCCR (R=SnH₃, GeH₃, SiH₃, CH₃, H) to the (PH₃)₂M (M=Ni, Pd, Pt) Complexes. Does the Substrate Approach the Metal in a Parallel or Perpendicular Manner? （共著） 2002
26.	論文	Importance of the Apical Site of the (H₂PC₂H₄PH₂)Pd Complex on the Elementary Reactions. A Density Functional Study （共著） 2002
27.	論文	Ab Initio MO Study of the Structures of N₂, NO and CO Molecules Coordinated to the Pdn (n = 1, 2, 5, 25) Clusters as a Model of Pd(110) Surface （共著） 2001
28.	論文	Density Functional Study of the Mechanism of CC, O-H and N-H Bond Activation at the Pd=X (X=Sn, Si, C) Bonds of the (PH₃)₂Pd=XH₂ Complexes （単著） 2001
29.	論文	Density Functional Study on Regioselective Hydrolysis of a Tryptophan-Containing Peptide Promoted by Palladium(II) Complexes （共著） 2001
30.	論文	Density Functional Study on the Hydrido Migration to CO₂ and CS₂ of the (η⁵-C₅H₄(CH₂)₃NH₃⁺)MH(H₂PC₂H₄PH₂) (M=Fe, Ru and Os) Complexes Promoted by the Protonated Amine Arm. Which Path Does the Reaction Take, Abstraction or Insertion? （共著） 2001
31.	論文	Predominant 1,2-Insertion of Styrene in the Pd-Catalyzed Alternating Copolymerization with Carbon Monoxide （共著） 2001
32.	論文	Promotion Effect of the Protonated Amine Arm of a Ruthenium Complex on Hydrido Migration to CO₂: A Density Functional Study （単著） 2001
33.	論文	Density Functional Study on Highly Ortho-Selective Addition of an Aromatic CH Bond to Olefins Catalyzed by a Ru(H)₂(CO)(PR₃)₃Complex （共著） 2000
34.	論文	Mechanistic Aspects of Stannole Formation Catalyzed by the Phosphine-Coordinated Transition-Metal Complexes M(PR₃)₂: An ab Initio MO Study （共著） 2000
35.	論文	Synthesis and Strutures of Polysilacage Compounds containing a Silicon-Silicon Inter-Element Linkage （共著） 2000
36.	論文	Density Functional Study on Activation of Ortho-CH Bond in Aromatic Ketone by Ru Complex. Role of Unusual Five-Coordinated d⁶ Metallacycle Intermediate with Agostic Interaction （共著） 1998
37.	論文	Ab Initio MO Study of the Full Cycle of Olefin Hydroformylation Catalyzed by a Rhodium Complex, RhH(CO)₂(PH₃)₂ （共著） 1997
38.	論文	Mechanistic Aspects of the Alternating Copolymerization of Propylene with Carbon Monoxide Catalyzed by Pd(II) Complexes of Unsymmetrical Phosphine-phosphite Ligands （共著） 1997
39.	論文	Theoretical Studies of Ethylene Polymerization Reactions Catalyzed by Zirconium and Titanium Chelating Alkoxide Complexes （共著） 1997
40.	論文	A Test of the New Integrated MO + MM"(IMOMM) Method for the Conformational Energy of Ethane and n-Butane （共著） 1996
41.	論文	Application of the New Integrated MO + MM"(IMOMM) Method to the Organometallic Reaction Pt(PR₃)₂ + H₂ (R=H, Me, t-Bu, and Ph) （共著） 1996
42.	論文	ONIOM: A Multilayered Integrated MO₊ MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels-Alder Reactions and Pt(P(t-Bu)₃)₂₊ H₂ Oxidative Addition （共著） 1996
43.	論文	Theoretical Study of Pd(II)- and Ni(II)-Catalyzed Alternating Copolymerization of Carbon Monoxide with Ethylene （共著） 1996
44.	論文	Ab Initio Molecular Orbital Studies of Elementary Reactions and Homogeneous Catalytic Cycles with Organometallic Compounds （共著） 1995
45.	論文	Catalysis of Phosphine-Coordinated Rhodium(I) Complexes for 2-Propanol Dehydrogenation （共著） 1994
46.	論文	Electronic Spectra of RMn(CO)₃(α-diimine) (R=H, CH₃): a CASSCF/CCI Comparative Study of the Lowest Singlet Excited States （共著） 1994
47.	論文	Photosubstitution of d⁶ Metal Carbonyls M(CO)₅L Revisited: a Theoretical Study （共著） 1994
48.	論文	Thermo- and Photocatalytic Dehydrogenation of 2-Propanol with [RuL(SnCl₃)₅]₄- (L=Cl- and SnCl₃^-) Complexes （共著） 1993
49.	論文	2-プロパノール脱水素錯体触媒の機構解析に関する研究（単著） 1991/03
50.	論文	EHMO Investigation of Trans Effects in Dihydrogen Evolution Reaction of Trans- [Ir(H)L(SnCl₃)₄]^3-(L=Cl^- and SnCl₃^-) with Hydrochloric Acid （共著） 1991
51.	論文	Mechanism of 2-Propanol Dehydrogenation Catalyzed by Tin(II)-Coordinated Iridium(III) Complexes （共著） 1991
52.	論文	Photocatalysis of Tin(II)-Coordinated Iridium(III) Complexes for Energy Storing with Quantum Yield Higher than Unity in 2-Propanol Dehydrogenation （共著） 1991
53.	その他	Application of the ONIOM-molecular dynamics method to the chemical reactions. A new theory of chemical reactivity （単著） 2009/07
54.	その他	ONIOM Method: Concept and Application （単著） 2003/12
55.	その他	ONIOMの概念と応用（単著） 2002/12
56.	その他	福井謙一記念研究センターのナノシミュレーション研究（共著） 2002/05
57.	その他	均一触媒反応; 遷移金属均一触媒解析手法・テクニックと応用事例（単著） 2001/10
58.	その他	ONIOM法の基礎から応用まで（単著） 1999/09
59.	その他	大きな分子を精度よく計算できるONIOM法（単著） 1999
60.	その他	大規模分子計算プログラムONIOM （単著） 1999
61.	その他	分子軌道法計算による巨大系研究への新しい展開をさぐる：ONIOM法とMOZYMEの平易な解説（単著） 1998/10
62.	その他	金属錯体反応の機構解析（単著） 1998/07
5件表示
全件表示(62件)

■ 現在の専門分野

量子化学, 計算化学, 理論化学　（キーワード：計算化学、理論化学）